diff --git a/Framework/PythonInterface/plugins/algorithms/SNSPowderReduction.py b/Framework/PythonInterface/plugins/algorithms/SNSPowderReduction.py
index 331120671475dcc5627b89665d9f4c2d72a22b21..2d73e52ceb60f6f049da81f75bbd3cfd04305a92 100644
--- a/Framework/PythonInterface/plugins/algorithms/SNSPowderReduction.py
+++ b/Framework/PythonInterface/plugins/algorithms/SNSPowderReduction.py
@@ -18,6 +18,7 @@ else:
EVENT_WORKSPACE_ID = "EventWorkspace"
+EXTENSIONS_NXS = ["_event.nxs", ".nxs.h5"]
def noRunSpecified(runs):
""" Check whether any run is specified
@@ -30,15 +31,16 @@ def noRunSpecified(runs):
:param runs:
:return:
"""
- assert isinstance(runs, numpy.ndarray)
-
# return True if runs is of size zero
- if runs.size <= 0:
+ if len(runs) <= 0:
return True
# return True if there is one and only one run in runs and it is not greater than 0.
- if runs.size == 1:
- return runs[0] <= 0
+ if len(runs) == 1:
+ # break off the instrument part
+ value = int(runs[0].split('_')[-1])
+ # -1 turns off the runnumber
+ return value <= 0
return False
@@ -64,6 +66,12 @@ def allEventWorkspaces(*args):
return result
+def getBasename(filename):
+ name = os.path.split(filename)[-1]
+ for extension in EXTENSIONS_NXS:
+ name = name.replace(extension, '')
+ return name
+
#pylint: disable=too-many-instance-attributes
class SNSPowderReduction(DataProcessorAlgorithm):
COMPRESS_TOL_TOF = .01
@@ -105,18 +113,14 @@ class SNSPowderReduction(DataProcessorAlgorithm):
return "The algorithm used for reduction of powder diffraction data obtained on SNS instruments (e.g. PG3) "
def PyInit(self):
- sns = ConfigService.getFacility("SNS")
- instruments = []
- for item in sns.instruments("Neutron Diffraction"):
- instruments.append(item.shortName())
- self.declareProperty("Instrument", "PG3", StringListValidator(instruments), "Powder diffractometer's name")
- arrvalidator = IntArrayBoundedValidator()
- arrvalidator.setLower(0)
- self.declareProperty(IntArrayProperty("RunNumber", values=[0], validator=arrvalidator,\
- direction=Direction.Input), "Number of sample run or 0 for only Vanadium and/or Background")
- extensions = [ "_histo.nxs", "_event.nxs", "_runinfo.xml", ".nxs.h5"]
- self.declareProperty("Extension", "_event.nxs",
- StringListValidator(extensions))
+ self.declareProperty(MultipleFileProperty(name="Filename",
+ extensions=EXTENSIONS_NXS),
+ "Event file")
+ self.declareProperty(FileProperty(name="LogFilename",
+ defaultValue="", action=FileAction.OptionalLoad,
+ extensions=EXTENSIONS_NXS),
+ "Optional file to copy logs from")
+
self.declareProperty("PreserveEvents", True,
"Argument to supply to algorithms that can change from events to histograms.")
self.declareProperty("Sum", False,
@@ -125,15 +129,15 @@ class SNSPowderReduction(DataProcessorAlgorithm):
StringListValidator(["None", "ResetToZero", "AddMinimum"]),
"Add a constant to the data that makes it positive over the whole range.")
arrvalidatorBack = IntArrayBoundedValidator()
- arrvalidator.setLower(-1)
+ arrvalidatorBack.setLower(-1)
self.declareProperty(IntArrayProperty("BackgroundNumber", values=[0], validator=arrvalidatorBack),
doc="If specified overrides value in CharacterizationRunsFile If -1 turns off correction.")
arrvalidatorVan = IntArrayBoundedValidator()
- arrvalidator.setLower(-1)
+ arrvalidatorVan.setLower(-1)
self.declareProperty(IntArrayProperty("VanadiumNumber", values=[0], validator=arrvalidatorVan),
doc="If specified overrides value in CharacterizationRunsFile. If -1 turns off correction.")
arrvalidatorVanBack = IntArrayBoundedValidator()
- arrvalidator.setLower(-1)
+ arrvalidatorVanBack.setLower(-1)
self.declareProperty(IntArrayProperty("VanadiumBackgroundNumber", values=[0], validator=arrvalidatorVanBack),
doc="If specified overrides value in CharacterizationRunsFile. If -1 turns off correction.")
self.declareProperty(FileProperty(name="CalibrationFile",defaultValue="",action=FileAction.Load,\
@@ -209,7 +213,6 @@ class SNSPowderReduction(DataProcessorAlgorithm):
""" Main execution body
"""
# get generic information
- SUFFIX = self.getProperty("Extension").value
self._loadCharacterizations()
self._resampleX = self.getProperty("ResampleX").value
if self._resampleX != 0.:
@@ -222,9 +225,6 @@ class SNSPowderReduction(DataProcessorAlgorithm):
if self._binning[0] == 0. and self._binning[1] == 0. and self._binning[2] == 0.:
raise RuntimeError("Failed to specify the binning")
self._bin_in_dspace = self.getProperty("BinInDspace").value
- self._instrument = self.getProperty("Instrument").value
- config['default.facility'] = "SNS"
- config['default.instrument'] = self._instrument
self._filterBadPulses = self.getProperty("FilterBadPulses").value
self._removePromptPulseWidth = self.getProperty("RemovePromptPulseWidth").value
self._LRef = self.getProperty("UnwrapRef").value
@@ -239,7 +239,10 @@ class SNSPowderReduction(DataProcessorAlgorithm):
self._outDir = self.getProperty("OutputDirectory").value
self._outPrefix = self.getProperty("OutputFilePrefix").value.strip()
self._outTypes = self.getProperty("SaveAs").value.lower()
- samRuns = self.getProperty("RunNumber").value
+
+ samRuns = self.getProperty("Filename").value
+ self._determineInstrument(samRuns[0])
+
preserveEvents = self.getProperty("PreserveEvents").value
if HAVE_MPI and preserveEvents == True:
self.log().warning("preserveEvents set to False for MPI tasks.")
@@ -252,7 +255,7 @@ class SNSPowderReduction(DataProcessorAlgorithm):
self.log().information("SplittersWorkspace is %s" % (str(self._splitws)))
if len(samRuns) != 1:
raise NotImplementedError("Reducing data with splitting cannot happen when there are more than 1 sample run.")
- timeFilterWall = self._getTimeFilterWall(self._splitws, samRuns[0], SUFFIX)
+ timeFilterWall = self._getTimeFilterWall(self._splitws, samRuns[0])
self.log().information("The time filter wall is %s" %(str(timeFilterWall)))
else:
timeFilterWall = (0.0, 0.0)
@@ -300,7 +303,7 @@ class SNSPowderReduction(DataProcessorAlgorithm):
if self._splitws is not None:
raise NotImplementedError("Summing spectra and filtering events are not supported simultaneously.")
- sam_ws_name = self._focusAndSum(samRuns, SUFFIX, timeFilterWall, calib,
+ sam_ws_name = self._focusAndSum(samRuns, timeFilterWall, calib,
preserveEvents=preserveEvents)
assert isinstance(sam_ws_name, str), 'Returned from _focusAndSum() must be a string but not' \
'%s. ' % str(type(sam_ws_name))
@@ -312,17 +315,9 @@ class SNSPowderReduction(DataProcessorAlgorithm):
else:
# Process each sample run
for sam_run_number in samRuns:
- # check
- err_msg = 'sample run number %s must be either int or numpy.int32, ' \
- 'but not %s' % (str(sam_run_number), str(type(sam_run_number)))
- assert isinstance(sam_run_number, int) or isinstance(sam_run_number, numpy.int32), err_msg
- if sam_run_number <= 0:
- self.log().warning('Sample run number %d is less and equal to zero!' % sam_run_number)
- continue
-
# first round of processing the sample
self._info = None
- returned = self._focusChunks(sam_run_number, SUFFIX, timeFilterWall, calib, splitwksp=self._splitws,
+ returned = self._focusChunks(sam_run_number, timeFilterWall, calib, splitwksp=self._splitws,
normalisebycurrent=self._normalisebycurrent,
preserveEvents=preserveEvents)
@@ -357,13 +352,15 @@ class SNSPowderReduction(DataProcessorAlgorithm):
# process the container
can_run_numbers = self._info["container"].value
- can_run_ws_name = self._process_container_runs(can_run_numbers, timeFilterWall, samRunIndex, SUFFIX, calib,
- preserveEvents)
+ can_run_numbers = ['%s_%d' % (self._instrument, value) for value in can_run_numbers]
+ can_run_ws_name = self._process_container_runs(can_run_numbers, timeFilterWall,
+ samRunIndex, calib, preserveEvents)
if can_run_ws_name is not None:
workspacelist.append(can_run_ws_name)
# process the vanadium run
van_run_number_list = self._info["vanadium"].value
+ van_run_number_list = ['%s_%d' % (self._instrument, value) for value in van_run_number_list]
van_specified = not noRunSpecified(van_run_number_list)
if van_specified:
van_run_ws_name = self._process_vanadium_runs(van_run_number_list, timeFilterWall, samRunIndex, calib)
@@ -456,6 +453,11 @@ class SNSPowderReduction(DataProcessorAlgorithm):
return
+ def _determineInstrument(self, filename):
+ name = getBasename(filename)
+ parts = name.split('_')
+ self._instrument = ConfigService.getInstrument(parts[0]).shortName() # only works for instruments without '_'
+
def _loadCharacterizations(self):
self._focusPos = {}
charFilename = self.getProperty("CharacterizationRunsFile").value
@@ -482,7 +484,7 @@ class SNSPowderReduction(DataProcessorAlgorithm):
self._focusPos['Azimuthal'] = results[6]
#pylint: disable=too-many-branches
- def _loadData(self, run_number, extension, filterWall=None, out_ws_name=None, **chunk):
+ def _loadData(self, filename, filterWall=None, out_ws_name=None, **chunk):
""" Load data optionally by chunk strategy
Purpose:
Load a complete or partial run, filter bad pulses.
@@ -494,21 +496,18 @@ class SNSPowderReduction(DataProcessorAlgorithm):
1. run number is integer and larger than 0
Guarantees:
A workspace is created with name described above
- :param run_number:
- :param extension: file extension
+ :param filename:
:param filterWall:
:param out_ws_name: name of output workspace specified by user. it will override the automatic name
:param chunk:
:return:
"""
# Check requirements
- assert isinstance(run_number, int) or isinstance(run_number, numpy.int32), 'Input run number must be integer ' \
- 'but not %s.' % str(type(run_number))
- assert run_number > 0, 'Input run number must be larger than 0 but not %d.' % run_number
+ assert len(filename) > 0, "Input file '%s' does not exist" % filename
assert (chunk is None) or isinstance(chunk, dict), 'Input chunk must be either a dictionary or None.'
- base_name = "%s_%d" % (self._instrument, int(run_number))
- filename = base_name + extension
+ base_name = getBasename(filename)
+
# give out the default output workspace name
if out_ws_name is None:
if chunk:
@@ -522,7 +521,7 @@ class SNSPowderReduction(DataProcessorAlgorithm):
# END-IF
# Specify the other chunk information including Precount, FilterByTimeStart and FilterByTimeStop.
- if extension.endswith("_event.nxs") or extension.endswith(".nxs.h5"):
+ if filename.endswith("_event.nxs") or filename.endswith(".nxs.h5"):
chunk["Precount"] = True
if filterWall is not None:
if filterWall[0] > 0.:
@@ -536,7 +535,8 @@ class SNSPowderReduction(DataProcessorAlgorithm):
# Log output
if wksp.id() == EVENT_WORKSPACE_ID:
- self.log().debug("Load run %d: number of events = %d. " % (run_number, wksp.getNumberEvents()))
+ self.log().debug("Load run %s: number of events = %d. " % (os.path.split(filename)[-1],
+ wksp.getNumberEvents()))
if HAVE_MPI:
msg = "MPI Task = %s ;" % (str(mpiRank))
if wksp.id() == EVENT_WORKSPACE_ID:
@@ -566,25 +566,30 @@ class SNSPowderReduction(DataProcessorAlgorithm):
self.log().information(message)
# END-IF (filter bad pulse)
+ # this if block is only for sample runs and only for testing new adara files
+ if filename in self.getProperty("Filename").value:
+ donorLogfilename = self.getProperty("LogFilename").value
+ if donorLogfilename is not None and len(donorLogfilename) > 0:
+ api.Load(Filename=donorLogfilename, MetaDataOnly=True, OutputWorkspace='temp_log_donor')
+ api.CopyLogs(InputWorkspace='temp_log_donor', OutputWorkspace=wksp,
+ MergeStrategy='MergeKeepExisting')
+ api.DeleteWorkspace('temp_log_donor')
+ wksp = mtd[str(wksp)] # convert back to a pointer
+ print wksp
+
return wksp
- def _getStrategy(self, runnumber, extension):
+ def _getStrategy(self, filename):
"""
Get chunking strategy by calling mantid algorithm 'DetermineChunking'
- :param runnumber:
- :param extension:
+ :param filename:
:return: a list of dictionary. Each dictionary is a row in table workspace
"""
- # generate the workspace name
- assert isinstance(runnumber, int) or isinstance(runnumber, numpy.int32), \
- 'Expected run number %s to be either integer or numpy.int32, but not %s' % (
- str(runnumber), str(type(runnumber)))
- file_name = "%s_%d" % (self._instrument, int(runnumber)) + extension
-
# Determine chunk strategy can search in archive.
# Therefore this will fail: assert os.path.exists(file_name), 'NeXus file %s does not exist.' % file_name
- self.log().debug("[Fx116] Run file Name : %s,\t\tMax chunk size: %s" % (file_name, str(self._chunks)))
- chunks = api.DetermineChunking(Filename=file_name, MaxChunkSize=self._chunks)
+ self.log().debug("[Fx116] Run file Name : %s,\t\tMax chunk size: %s" %
+ (filename, str(self._chunks)))
+ chunks = api.DetermineChunking(Filename=filename, MaxChunkSize=self._chunks)
strategy = []
for row in chunks:
@@ -617,7 +622,7 @@ class SNSPowderReduction(DataProcessorAlgorithm):
raise RuntimeError("Cannot add incompatible wavelengths (%f != %f)" \
% (left["wavelength"].value, right["wavelength"].value))
- def _loadAndSum(self, run_number_list, outName, **filterWall):
+ def _loadAndSum(self, filename_list, outName, **filterWall):
"""
Load and sum
Purpose:
@@ -632,35 +637,27 @@ class SNSPowderReduction(DataProcessorAlgorithm):
:return:
"""
# Check requirements
- assert isinstance(run_number_list, list) or isinstance(run_number_list, numpy.ndarray),\
+ assert isinstance(filename_list, list), \
'Run number list is not a list but of type %s' % str(type(run_number_list))
- for run_number in run_number_list:
- assert isinstance(run_number, int) or isinstance(run_number, numpy.int32), \
- 'Run number %s must be an integer but not a %s.' % (str(run_number), str(type(run_number)))
- assert run_number > 0, 'Run number %s must be larger than 0.' % run_number
# Form output workspaces' names
- file_number_list = ['%s_%d' % (self._instrument, runNum) for runNum in run_number_list]
- out_ws_name_list = ['%s_%d_loadsum' % (self._instrument, runNum) for runNum in run_number_list]
+ out_ws_name_list = ['%s_loadsum' % getBasename(filename) for filename in filename_list]
sample_ws_name = None
info = None
- SUFFIX = self.getProperty("Extension").value
# for ws_name in out_ws_name_list:
- for i_run in xrange(len(run_number_list)):
- run_number = file_number_list[i_run]
- ws_name = out_ws_name_list[i_run]
- self.log().debug("[Sum] processing %s" % run_number)
- temp_ws = api.LoadEventAndCompress(Filename=run_number+SUFFIX,
+ for (filename, ws_name) in zip(filename_list, out_ws_name_list):
+ self.log().debug("[Sum] processing %s" % filename)
+ temp_ws = api.LoadEventAndCompress(Filename=filename,
OutputWorkspace=ws_name,
MaxChunkSize=self._chunks,
FilterBadPulses=self._filterBadPulses,
CompressTOFTolerance=self.COMPRESS_TOL_TOF, **filterWall)
assert temp_ws is not None
if temp_ws.id() == EVENT_WORKSPACE_ID:
- self.log().warning('Load event file %s, compress it and get %d events.' % (run_number+SUFFIX,
- temp_ws.getNumberEvents()))
+ self.log().warning('Load event file %s, compress it and get %d events.' %
+ (filename, temp_ws.getNumberEvents()))
tempinfo = self._getinfo(ws_name)
if sample_ws_name is None:
@@ -706,7 +703,7 @@ class SNSPowderReduction(DataProcessorAlgorithm):
return outName
#pylint: disable=too-many-arguments
- def _focusAndSum(self, run_number_list, extension, filterWall, calib, preserveEvents=True):
+ def _focusAndSum(self, filenames, filterWall, calib, preserveEvents=True):
"""Load, sum, and focus data in chunks
Purpose:
Load, sum and focus data in chunks;
@@ -721,21 +718,14 @@ class SNSPowderReduction(DataProcessorAlgorithm):
@param preserveEvents:
@return: string as the summed workspace's name
"""
- # Check requirements
- assert isinstance(run_number_list, numpy.ndarray) or isinstance(run_number_list, list)
-
sumRun = None
info = None
- for run_number in run_number_list:
- # check
- error_message = 'Run number %s should be integer or numpy.int32. But it is %s.' % (str(run_number),
- str(type(run_number)))
- assert isinstance(run_number, int) or isinstance(run_number, numpy.int32), error_message
- self.log().information("[Sum] Process run number %d. " % run_number)
+ for filename in filenames:
+ self.log().information("[Sum] Process run number %s. " % filename)
# focus one run
- out_ws_name = self._focusChunks(run_number, extension, filterWall, calib,
+ out_ws_name = self._focusChunks(filename, filterWall, calib,
normalisebycurrent=False,
preserveEvents=preserveEvents)
assert isinstance(out_ws_name, str), 'Output from _focusChunks() should be a string but' \
@@ -772,12 +762,11 @@ class SNSPowderReduction(DataProcessorAlgorithm):
return sumRun
#pylint: disable=too-many-arguments,too-many-locals,too-many-branches
- def _focusChunks(self, runnumber, extension, filterWall, calib,
+ def _focusChunks(self, filename, filterWall, calib,
normalisebycurrent, splitwksp=None, preserveEvents=True):
"""
Load, (optional) split and focus data in chunks
@param runnumber: integer for run number
- @param extension:
@param filterWall: Enabled if splitwksp is defined
@param calib:
@param normalisebycurrent: Set to False if summing runs for correct math
@@ -787,10 +776,10 @@ class SNSPowderReduction(DataProcessorAlgorithm):
in the case that split workspace is used.
"""
# generate the workspace name
- self.log().information("_focusChunks(): runnumber = %d, extension = %s" % (runnumber, extension))
+ self.log().information("_focusChunks(): run = %s" % (filename))
# get chunk strategy for parallel processing (MPI)
- strategy = self._getStrategy(runnumber, extension)
+ strategy = self._getStrategy(filename)
# determine event splitting by checking filterWall and number of output workspaces from _focusChunk
do_split_raw_wksp, num_out_wksp = self._determine_workspace_splitting(splitwksp, filterWall)
@@ -803,13 +792,12 @@ class SNSPowderReduction(DataProcessorAlgorithm):
# reduce data by chunks
chunk_index = -1
- # FIXME/TODO/Now: there are 2 places that determine the base name
- base_name = '%s_%d' % (self._instrument, runnumber)
+ base_name = getBasename(filename)
for chunk in strategy:
# progress on chunk index
chunk_index += 1
# Load chunk, i.e., partial data into Mantid
- raw_ws_chunk = self._loadData(runnumber, extension, filterWall, **chunk)
+ raw_ws_chunk = self._loadData(filename, filterWall, **chunk)
raw_ws_name_chunk = raw_ws_chunk.name()
if self._info is None:
@@ -1044,7 +1032,7 @@ class SNSPowderReduction(DataProcessorAlgorithm):
return
- def _getTimeFilterWall(self, splitws, samrun, extension):
+ def _getTimeFilterWall(self, splitws, filename):
""" Get filter wall from splitter workspace, i.e.,
get the earlies and latest TIME stamp in input splitter workspace
@@ -1061,9 +1049,7 @@ class SNSPowderReduction(DataProcessorAlgorithm):
return (0.0, 0.0)
# Load data
- name = "%s_%d" % (self._instrument, samrun)
- filename = name + extension
- metawsname = "temp_"+name
+ metawsname = "temp_" + getBasename(filename)
metawksp = api.Load(Filename=str(filename), OutputWorkspace=str(metawsname), MetaDataOnly=True)
if metawksp is None:
@@ -1167,7 +1153,8 @@ class SNSPowderReduction(DataProcessorAlgorithm):
return do_split_raw_wksp, num_out_wksp
- def _process_container_runs(self, can_run_numbers, timeFilterWall, samRunIndex, SUFFIX, calib, preserveEvents):
+ def _process_container_runs(self, can_run_numbers, timeFilterWall, samRunIndex, calib,
+ preserveEvents):
""" Process container runs
:param can_run_numbers:
:return:
@@ -1197,7 +1184,7 @@ class SNSPowderReduction(DataProcessorAlgorithm):
can_run_number = can_run_numbers[samRunIndex]
# get reference to container run
- can_run_ws_name = '%s_%d' % (self._instrument, can_run_number)
+ can_run_ws_name = getBasename(can_run_number)
if self.does_workspace_exist(can_run_ws_name) is True:
# container run exists to get reference from mantid
can_run_ws = api.ConvertUnits(InputWorkspace=can_run_ws_name,
@@ -1207,10 +1194,10 @@ class SNSPowderReduction(DataProcessorAlgorithm):
else:
# load the container run
if self.getProperty("Sum").value:
- can_run_ws_name = self._focusAndSum(can_run_numbers, SUFFIX, canFilterWall, calib,
+ can_run_ws_name = self._focusAndSum(can_run_numbers, canFilterWall, calib,
preserveEvents=preserveEvents)
else:
- can_run_ws_name = self._focusChunks(can_run_number, SUFFIX, canFilterWall, calib,
+ can_run_ws_name = self._focusChunks(can_run_number, canFilterWall, calib,
normalisebycurrent=self._normalisebycurrent,
preserveEvents=preserveEvents)
can_run_ws = self.get_workspace(can_run_ws_name)
@@ -1255,9 +1242,9 @@ class SNSPowderReduction(DataProcessorAlgorithm):
van_run_number = van_run_number_list[samRunIndex]
# get handle on workspace of this van run and make sure its unit is T.O.F
- if "%s_%d" % (self._instrument, van_run_number) in mtd:
+ if van_run_number in mtd:
# use the existing vanadium
- van_run_ws_name = "%s_%d" % (self._instrument, van_run_number)
+ van_run_ws_name = getBasename(van_run_number)
van_run_ws = mtd[van_run_ws_name]
assert van_run_ws is not None
van_run_ws = api.ConvertUnits(InputWorkspace=van_run_ws_name,
@@ -1274,7 +1261,7 @@ class SNSPowderReduction(DataProcessorAlgorithm):
vanFilterWall = {'FilterByTimeStart': Property.EMPTY_DBL, 'FilterByTimeStop': Property.EMPTY_DBL}
# load the vanadium
- van_run_ws_name = "%s_%d" % (self._instrument, van_run_number)
+ van_run_ws_name = getBasename(van_run_number)
if self.getProperty("Sum").value:
van_run_ws_name = self._loadAndSum(van_run_number_list, van_run_ws_name, **vanFilterWall)
else:
@@ -1282,13 +1269,15 @@ class SNSPowderReduction(DataProcessorAlgorithm):
# load the vanadium background (if appropriate)
van_bkgd_run_number_list = self._info["empty"].value
+ van_bkgd_run_number_list = ['%s_%d' % (self._instrument, value)
+ for value in van_bkgd_run_number_list]
if not noRunSpecified(van_bkgd_run_number_list):
# determine the van background workspace name
if len(van_bkgd_run_number_list) == 1:
van_bkgd_run_number = van_bkgd_run_number_list[0]
else:
van_bkgd_run_number = van_bkgd_run_number_list[samRunIndex]
- van_bkgd_ws_name = "%s_%d_vb" % (self._instrument, van_bkgd_run_number)
+ van_bkgd_ws_name = getBasename(van_bkgd_run_number)
# load background runs and sum if necessary
if self.getProperty("Sum").value:
diff --git a/Testing/SystemTests/tests/analysis/SNSPowderRedux.py b/Testing/SystemTests/tests/analysis/SNSPowderRedux.py
index 2f6331ed6f310ef032875a9aa46700b0c3b4093a..96d3be20e7159750b3c3294a32a787535fe32f77 100644
--- a/Testing/SystemTests/tests/analysis/SNSPowderRedux.py
+++ b/Testing/SystemTests/tests/analysis/SNSPowderRedux.py
@@ -56,7 +56,7 @@ class PG3Analysis(stresstesting.MantidStressTest):
savedir = getSaveDir()
# run the actual code
- SNSPowderReduction(Instrument="PG3", RunNumber=4844, Extension="_event.nxs",
+ SNSPowderReduction(Filename="PG3_4844",
PreserveEvents=True,
CalibrationFile=self.cal_file,
CharacterizationRunsFile=self.char_file,
@@ -207,7 +207,7 @@ class SeriesAndConjoinFilesTest(stresstesting.MantidStressTest):
savedir = getSaveDir()
# reduce a sum of runs - and drop it
- SNSPowderReduction(Instrument="PG3", RunNumber=[9829,9830], Extension="_event.nxs",
+ SNSPowderReduction(Filename="PG3_9829,9830",
Sum=True, # This is the difference with the next call
PreserveEvents=True, VanadiumNumber=-1,
CalibrationFile=self.cal_file,
@@ -218,7 +218,7 @@ class SeriesAndConjoinFilesTest(stresstesting.MantidStressTest):
FinalDataUnits="dSpacing")
# reduce a series of runs
- SNSPowderReduction(Instrument="PG3", RunNumber=[9829,9830], Extension="_event.nxs",
+ SNSPowderReduction(Filename="PG3_9829,PG3_9830",
PreserveEvents=True, VanadiumNumber=-1,
CalibrationFile=self.cal_file,
CharacterizationRunsFile=self.char_file,
diff --git a/docs/source/release/v3.8.0/diffraction.rst b/docs/source/release/v3.8.0/diffraction.rst
index 87e433557584d2489118124a251f53f131f4f7bc..0d581c64bf8a35f3af12657fa248aa7c3ca46ded 100644
--- a/docs/source/release/v3.8.0/diffraction.rst
+++ b/docs/source/release/v3.8.0/diffraction.rst
@@ -11,7 +11,17 @@ Crystal Improvements
Engineering Diffraction
-----------------------
-|
+Powder Diffraction
+------------------
+
+- :ref:`SNSPowderReduction <algm-SNSPowderReduction>` has changed
+ parameters. ``Instrument``, ``RunNumber``, and ``Extension`` have
+ been replaced with a single ``Filename`` parameter. This has been
+ paired with changes to the Powder Diffraction interface as well. An
+ additional parameter, ``LogFilename``, has been added to aid in
+ testing files being produced by the "new DAS" at SNS. This parameter
+ has not been added to the Powder Diffraction interface and will be
+ removed without notice.
Full list of `diffraction <http://github.com/mantidproject/mantid/pulls?q=is%3Apr+milestone%3A%22Release+3.8%22+is%3Amerged+label%3A%22Component%3A+Diffraction%22>`_
and
diff --git a/scripts/Interface/reduction_gui/reduction/diffraction/diffraction_adv_setup_script.py b/scripts/Interface/reduction_gui/reduction/diffraction/diffraction_adv_setup_script.py
index 8108b6346e243f4c91811c7acdaf634745cd834e..a9b368dfdedf63b9d9226e2bfc9c78c89ab8632b 100644
--- a/scripts/Interface/reduction_gui/reduction/diffraction/diffraction_adv_setup_script.py
+++ b/scripts/Interface/reduction_gui/reduction/diffraction/diffraction_adv_setup_script.py
@@ -88,7 +88,6 @@ class AdvancedSetupScript(BaseScriptElement):
self.parnamelist.append("FilterBadPulses")
self.parnamelist.append("BackgroundSmoothParams")
self.parnamelist.append("PushDataPositive")
- self.parnamelist.append("Extension")
self.parnamelist.append("PreserveEvents")
self.parnamelist.append("OutputFilePrefix")
self.parnamelist.append("ScaleData")
@@ -138,7 +137,6 @@ class AdvancedSetupScript(BaseScriptElement):
pardict["VanadiumFWHM"] = self.vanadiumfwhm
pardict["VanadiumPeakTol"] = self.vanadiumpeaktol
pardict["VanadiumSmoothParams"] = self.vanadiumsmoothparams
- pardict["Extension"] = str(self.extension)
pardict["PreserveEvents"] = str(int(self.preserveevents))
pardict["OutputFilePrefix"] = self.outputfileprefix
pardict["ScaleData"] = self.scaledata
@@ -253,4 +251,3 @@ class AdvancedSetupScript(BaseScriptElement):
self.scaledata = AdvancedSetupScript.scaledata
return
-
diff --git a/scripts/Interface/reduction_gui/reduction/diffraction/diffraction_reduction_script.py b/scripts/Interface/reduction_gui/reduction/diffraction/diffraction_reduction_script.py
index 69f27dfd77f0665fc782d38175c85e0f56ef1bda..4e2b146ad641a7166445e9d39035e902c79e3e9f 100644
--- a/scripts/Interface/reduction_gui/reduction/diffraction/diffraction_reduction_script.py
+++ b/scripts/Interface/reduction_gui/reduction/diffraction/diffraction_reduction_script.py
@@ -6,6 +6,7 @@
"""
import os
from mantid.kernel import Logger
+from mantid.api import FileFinder
from reduction_gui.reduction.scripter import BaseReductionScripter
class DiffractionReductionScripter(BaseReductionScripter):
@@ -252,69 +253,23 @@ class DiffractionReductionScripter(BaseReductionScripter):
Return: list of files
"""
- datafilenames = []
runnumbers_str = str(runsetupdict["RunNumber"])
- runnumbers_str = runnumbers_str.replace("\"", "")
- runnumbers_str = runnumbers_str.replace("'", "")
+ runnumbers_str = FileFinder.findRuns(self.instrument_name + runnumbers_str)
+ runnumbers_str = [os.path.split(filename)[-1] for filename in runnumbers_str]
- # 1. Parse run numbers string to list of integers
+ # create an integer version
runnumbers = []
- terms = runnumbers_str.split(",")
- for term in terms:
- term = term.strip()
- if len(term) == 0:
- continue
+ for filename in runnumbers_str:
+ for extension in ['_event.nxs', '.nxs.h5']:
+ filename = filename.replace(extension, '')
+ runnumber = filename.split('_')[-1]
+ runnumbers.append(int(runnumber))
- numdashes = term.count("-")
- if numdashes == 0:
- # integer
- try:
- run = int(term)
- except ValueError:
- print "Term %s cannot be parsed to integer. Input error!" % (term)
- break
- if run < 0:
- print "Negative run number %d is not supported. Input error!" % (run)
- break
- runnumbers.append(run)
-
- elif numdashes == 1:
- # range of integer
- twovalues = term.split("-")
- try:
- runstart = int(twovalues[0])
- #print "run start = ", runstart
- except ValueError:
- print "Term %s cannot be parsed to a range of integers. Input error!" % (term)
- break
- try:
- runend = int(twovalues[1])
- #print "run end = ", runend
- except ValueError:
- print "Term %s cannot be parsed to a range of integers. Input error!" % (term)
- break
-
- for run in xrange(runstart, runend+1):
- runnumbers.append(run)
-
- else:
- # cannot be correct. more than 1 '-'
- print "Term %s cannot be parsed to an integer or a range of integers. Input error!" % (term)
- break
-
- # ENDIF: number of '-'
-
- # ENDFOR: term
-
- # 2. Attach file extension
- extension = advsetupdict["Extension"].replace("\"", "").replace("'", "")
- for run in runnumbers:
- filename = str(self.instrument_name +"_" + str(run) + extension)
- datafilenames.append((run, filename))
-
- #print "Input data file %s of run number %s" % (filename, str(run))
- # ENDFOR
+ # put together the output
+ datafilenames = []
+ for (filename, runnumber) in zip(runnumbers_str, runnumbers):
+ datafilenames.append((runnumber, filename))
return datafilenames
@@ -324,8 +279,6 @@ class DiffractionReductionScripter(BaseReductionScripter):
""" Build the script to call SNSPowderReduction()
"""
script = 'SNSPowderReduction(\n'
- script += "%sInstrument = '%s',\n" % (DiffractionReductionScripter.WIDTH,
- self.instrument_name)
# 1. Run setup
# a) determine whether to turn on/off corrections
@@ -370,7 +323,10 @@ class DiffractionReductionScripter(BaseReductionScripter):
if propname == "RunNumber":
# Option to take user input run number
if runnumber is not None:
- propvalue = str(runnumber)
+ propvalue = '%s%s' % (self.instrument_name, str(runnumber))
+
+ script += "%s%s = '%s',\n" % (DiffractionReductionScripter.WIDTH, 'Filename', str(propvalue))
+ continue
# Add value
script += "%s%s = '%s',\n" % (DiffractionReductionScripter.WIDTH, propname, str(propvalue))
diff --git a/scripts/Interface/reduction_gui/widgets/diffraction/diffraction_adv_setup.py b/scripts/Interface/reduction_gui/widgets/diffraction/diffraction_adv_setup.py
index 1022f508800d54ac58a516ac470487ff1a13650a..37210a2d6400c2bc158ec581395c07ae67a836c3 100644
--- a/scripts/Interface/reduction_gui/widgets/diffraction/diffraction_adv_setup.py
+++ b/scripts/Interface/reduction_gui/widgets/diffraction/diffraction_adv_setup.py
@@ -80,8 +80,6 @@ class AdvancedSetupWidget(BaseWidget):
self._content.scaledata_edit.setValidator(dv7)
# Default states
- self._content.extension_combo.setCurrentIndex(1)
-
self._content.stripvanpeaks_chkbox.setChecked(True)
self._syncStripVanPeakWidgets(True)
@@ -92,8 +90,6 @@ class AdvancedSetupWidget(BaseWidget):
self._content.filterbadpulses_edit.setValidator(dv8)
self._content.filterbadpulses_edit.setText("95.")
- # self._content.extension_combo.addItems(['.h5', '.hd5'])
-
# Connections from action/event to function to handle
self.connect(self._content.stripvanpeaks_chkbox, QtCore.SIGNAL("clicked()"),\
self._stripvanpeaks_clicked)
@@ -128,7 +124,6 @@ class AdvancedSetupWidget(BaseWidget):
self._content.vansmoothpar_edit.setText(str(state.vanadiumsmoothparams))
self._content.preserveevents_checkbox.setChecked(state.preserveevents)
- self._content.extension_combo.setCurrentIndex(self._content.extension_combo.findText(state.extension))
self._content.outputfileprefix_edit.setText(state.outputfileprefix)
# range of wavelength
@@ -161,7 +156,6 @@ class AdvancedSetupWidget(BaseWidget):
s.vanadiumsmoothparams = self._content.vansmoothpar_edit.text()
s.preserveevents = self._content.preserveevents_checkbox.isChecked()
- s.extension = str(self._content.extension_combo.currentText())
s.outputfileprefix = self._content.outputfileprefix_edit.text()
diff --git a/scripts/Interface/ui/diffraction/diffraction_adv_setup.ui b/scripts/Interface/ui/diffraction/diffraction_adv_setup.ui
index c272cabfe87c34dd3b4fffac5e70d092a80470e7..97deb39038c55b550031a9e35c6fa5acf00d1715 100644
--- a/scripts/Interface/ui/diffraction/diffraction_adv_setup.ui
+++ b/scripts/Interface/ui/diffraction/diffraction_adv_setup.ui
@@ -190,132 +190,39 @@
<layout class="QVBoxLayout" name="verticalLayout_6">
<item>
<layout class="QGridLayout" name="gridLayout_2">
- <item row="4" column="0">
- <widget class="QLabel" name="label_3">
- <property name="text">
- <string>Scale Data</string>
- </property>
- </widget>
- </item>
- <item row="0" column="3">
- <widget class="QLabel" name="file_extension_label">
+ <item row="2" column="3">
+ <widget class="QLabel" name="label_10">
<property name="minimumSize">
<size>
- <width>160</width>
+ <width>200</width>
<height>0</height>
</size>
</property>
<property name="maximumSize">
<size>
- <width>160</width>
+ <width>200</width>
<height>16777215</height>
</size>
</property>
<property name="toolTip">
- <string><html><head/><body><p>File extension of the run file to load. </p></body></html></string>
+ <string><html><head/><body><p>Width of events (in microseconds) near the prompt pulse to remove. 0 disables. </p></body></html></string>
</property>
<property name="text">
- <string>File Extension</string>
+ <string>Remove Prompt Pulse Width</string>
</property>
</widget>
</item>
<item row="1" column="3">
- <widget class="QLabel" name="label_6">
- <property name="minimumSize">
- <size>
- <width>240</width>
- <height>0</height>
- </size>
- </property>
- <property name="maximumSize">
- <size>
- <width>240</width>
- <height>16777215</height>
- </size>
- </property>
+ <widget class="QLabel" name="label_5">
<property name="text">
- <string>Minumum Cropped Wavelength</string>
- </property>
- </widget>
- </item>
- <item row="3" column="4">
- <widget class="QLineEdit" name="removepromptwidth_edit">
- <property name="sizePolicy">
- <sizepolicy hsizetype="Fixed" vsizetype="Fixed">
- <horstretch>0</horstretch>
- <verstretch>0</verstretch>
- </sizepolicy>
- </property>
- <property name="minimumSize">
- <size>
- <width>200</width>
- <height>0</height>
- </size>
- </property>
- <property name="maximumSize">
- <size>
- <width>200</width>
- <height>16777215</height>
- </size>
- </property>
- <property name="toolTip">
- <string><html><head/><body><p>Enter value for width of events (in microseconds) near the prompt pulse to remove</p></body></html></string>
- </property>
- </widget>
- </item>
- <item row="0" column="4">
- <widget class="QComboBox" name="extension_combo">
- <property name="minimumSize">
- <size>
- <width>200</width>
- <height>0</height>
- </size>
- </property>
- <property name="maximumSize">
- <size>
- <width>200</width>
- <height>16777215</height>
- </size>
- </property>
- <property name="toolTip">
- <string><html><head/><body><p>Select a type of file extension to load run with. </p></body></html></string>
+ <string>Maximum Cropped Wavelength</string>
</property>
- <item>
- <property name="text">
- <string>_event.nxs</string>
- </property>
- </item>
- <item>
- <property name="text">
- <string>_histo.nxs</string>
- </property>
- </item>
- <item>
- <property name="text">
- <string>_runinfo.xml</string>
- </property>
- </item>
</widget>
</item>
- <item row="1" column="4">
- <widget class="QLineEdit" name="cropwavelengthmin_edit">
- <property name="sizePolicy">
- <sizepolicy hsizetype="Preferred" vsizetype="Fixed">
- <horstretch>0</horstretch>
- <verstretch>0</verstretch>
- </sizepolicy>
- </property>
- <property name="minimumSize">
- <size>
- <width>200</width>
- <height>0</height>
- </size>
- </property>
- <property name="maximumSize">
- <size>
- <width>200</width>
- <height>16777215</height>
- </size>
+ <item row="4" column="0">
+ <widget class="QLabel" name="label_3">
+ <property name="text">
+ <string>Scale Data</string>
</property>
</widget>
</item>
@@ -335,40 +242,6 @@
</property>
</spacer>
</item>
- <item row="4" column="4">
- <widget class="QComboBox" name="pushdatapos_combo">
- <property name="minimumSize">
- <size>
- <width>200</width>
- <height>0</height>
- </size>
- </property>
- <property name="maximumSize">
- <size>
- <width>200</width>
- <height>16777215</height>
- </size>
- </property>
- <property name="toolTip">
- <string><html><head/><body><p>Choose a method/algorithm to process negative intensity data. </p></body></html></string>
- </property>
- <item>
- <property name="text">
- <string>None</string>
- </property>
- </item>
- <item>
- <property name="text">
- <string>ResetToZero</string>
- </property>
- </item>
- <item>
- <property name="text">
- <string>AddMinimum</string>
- </property>
- </item>
- </widget>
- </item>
<item row="0" column="0">
<widget class="QLabel" name="label_2">
<property name="text">
@@ -414,28 +287,6 @@
</property>
</widget>
</item>
- <item row="4" column="3">
- <widget class="QLabel" name="pushdatapostive_labe">
- <property name="minimumSize">
- <size>
- <width>160</width>
- <height>0</height>
- </size>
- </property>
- <property name="maximumSize">
- <size>
- <width>120</width>
- <height>16777215</height>
- </size>
- </property>
- <property name="toolTip">
- <string><html><head/><body><p>Method/algorithm to process data if negative intensity in corrected diffraction data exists. </p></body></html></string>
- </property>
- <property name="text">
- <string>Push Data Positive</string>
- </property>
- </widget>
- </item>
<item row="0" column="1">
<widget class="QLineEdit" name="outputfileprefix_edit">
<property name="sizePolicy">
@@ -458,28 +309,6 @@
</property>
</widget>
</item>
- <item row="3" column="3">
- <widget class="QLabel" name="label_10">
- <property name="minimumSize">
- <size>
- <width>200</width>
- <height>0</height>
- </size>
- </property>
- <property name="maximumSize">
- <size>
- <width>200</width>
- <height>16777215</height>
- </size>
- </property>
- <property name="toolTip">
- <string><html><head/><body><p>Width of events (in microseconds) near the prompt pulse to remove. 0 disables. </p></body></html></string>
- </property>
- <property name="text">
- <string>Remove Prompt Pulse Width</string>
- </property>
- </widget>
- </item>
<item row="1" column="0">
<widget class="QLabel" name="low_resolution_label">
<property name="sizePolicy">
@@ -496,20 +325,6 @@
</property>
</widget>
</item>
- <item row="5" column="3">
- <widget class="QLabel" name="label_4">
- <property name="text">
- <string>FilterBadPulses</string>
- </property>
- </widget>
- </item>
- <item row="5" column="4">
- <widget class="QLineEdit" name="filterbadpulses_edit">
- <property name="toolTip">
- <string><html><head/><body><p>Check to filter out events measured while proton charge is more than 5% below average </p></body></html></string>
- </property>
- </widget>
- </item>
<item row="2" column="1">
<widget class="QLineEdit" name="unwrap_edit">
<property name="sizePolicy">
@@ -535,13 +350,6 @@
</property>
</widget>
</item>
- <item row="2" column="3">
- <widget class="QLabel" name="label_5">
- <property name="text">
- <string>Maximum Cropped Wavelength</string>
- </property>
- </widget>
- </item>
<item row="3" column="0">
<widget class="QLabel" name="label">
<property name="minimumSize">
@@ -638,7 +446,146 @@
</property>
</widget>
</item>
- <item row="6" column="0">
+ <item row="0" column="3">
+ <widget class="QLabel" name="label_6">
+ <property name="minimumSize">
+ <size>
+ <width>240</width>
+ <height>0</height>
+ </size>
+ </property>
+ <property name="maximumSize">
+ <size>
+ <width>240</width>
+ <height>16777215</height>
+ </size>
+ </property>
+ <property name="text">
+ <string>Minumum Cropped Wavelength</string>
+ </property>
+ </widget>
+ </item>
+ <item row="3" column="3">
+ <widget class="QLabel" name="pushdatapostive_labe">
+ <property name="minimumSize">
+ <size>
+ <width>160</width>
+ <height>0</height>
+ </size>
+ </property>
+ <property name="maximumSize">
+ <size>
+ <width>120</width>
+ <height>16777215</height>
+ </size>
+ </property>
+ <property name="toolTip">
+ <string><html><head/><body><p>Method/algorithm to process data if negative intensity in corrected diffraction data exists. </p></body></html></string>
+ </property>
+ <property name="text">
+ <string>Push Data Positive</string>
+ </property>
+ </widget>
+ </item>
+ <item row="4" column="3">
+ <widget class="QLabel" name="label_4">
+ <property name="text">
+ <string>FilterBadPulses</string>
+ </property>
+ </widget>
+ </item>
+ <item row="0" column="4">
+ <widget class="QLineEdit" name="cropwavelengthmin_edit">
+ <property name="sizePolicy">
+ <sizepolicy hsizetype="Preferred" vsizetype="Fixed">
+ <horstretch>0</horstretch>
+ <verstretch>0</verstretch>
+ </sizepolicy>
+ </property>
+ <property name="minimumSize">
+ <size>
+ <width>200</width>
+ <height>0</height>
+ </size>
+ </property>
+ <property name="maximumSize">
+ <size>
+ <width>200</width>
+ <height>16777215</height>
+ </size>
+ </property>
+ </widget>
+ </item>
+ <item row="1" column="4">
+ <widget class="QLineEdit" name="lineEdit_croppedWavelengthMax"/>
+ </item>
+ <item row="2" column="4">
+ <widget class="QLineEdit" name="removepromptwidth_edit">
+ <property name="sizePolicy">
+ <sizepolicy hsizetype="Fixed" vsizetype="Fixed">
+ <horstretch>0</horstretch>
+ <verstretch>0</verstretch>
+ </sizepolicy>
+ </property>
+ <property name="minimumSize">
+ <size>
+ <width>200</width>
+ <height>0</height>
+ </size>
+ </property>
+ <property name="maximumSize">
+ <size>
+ <width>200</width>
+ <height>16777215</height>
+ </size>
+ </property>
+ <property name="toolTip">
+ <string><html><head/><body><p>Enter value for width of events (in microseconds) near the prompt pulse to remove</p></body></html></string>
+ </property>
+ </widget>
+ </item>
+ <item row="3" column="4">
+ <widget class="QComboBox" name="pushdatapos_combo">
+ <property name="minimumSize">
+ <size>
+ <width>200</width>
+ <height>0</height>
+ </size>
+ </property>
+ <property name="maximumSize">
+ <size>
+ <width>200</width>
+ <height>16777215</height>
+ </size>
+ </property>
+ <property name="toolTip">
+ <string><html><head/><body><p>Choose a method/algorithm to process negative intensity data. </p></body></html></string>
+ </property>
+ <item>
+ <property name="text">
+ <string>None</string>
+ </property>
+ </item>
+ <item>
+ <property name="text">
+ <string>ResetToZero</string>
+ </property>
+ </item>
+ <item>
+ <property name="text">
+ <string>AddMinimum</string>
+ </property>
+ </item>
+ </widget>
+ </item>
+ <item row="4" column="4">
+ <widget class="QLineEdit" name="filterbadpulses_edit">
+ <property name="toolTip">
+ <string><html><head/><body><p>Check to filter out events measured while proton charge is more than 5% below average </p></body></html></string>
+ </property>
+ </widget>
+ </item>
+ <item row="5" column="3">
<widget class="QCheckBox" name="preserveevents_checkbox">
<property name="maximumSize">
<size>
@@ -657,7 +604,7 @@
</property>
</widget>
</item>
- <item row="6" column="2">
+ <item row="5" column="5">
<spacer name="horizontalSpacer_6">
<property name="orientation">
<enum>Qt::Horizontal</enum>
@@ -670,9 +617,6 @@
</property>
</spacer>
</item>
- <item row="2" column="4">
- <widget class="QLineEdit" name="lineEdit_croppedWavelengthMax"/>
- </item>
</layout>
</item>
</layout>
@@ -926,13 +870,6 @@
<tabstop>maxchunksize_edit</tabstop>
<tabstop>scaledata_edit</tabstop>
<tabstop>bkgdsmoothpar_edit</tabstop>
- <tabstop>extension_combo</tabstop>
- <tabstop>cropwavelengthmin_edit</tabstop>
- <tabstop>lineEdit_croppedWavelengthMax</tabstop>
- <tabstop>removepromptwidth_edit</tabstop>
- <tabstop>pushdatapos_combo</tabstop>
- <tabstop>filterbadpulses_edit</tabstop>
- <tabstop>preserveevents_checkbox</tabstop>
<tabstop>stripvanpeaks_chkbox</tabstop>
<tabstop>vanpeakfwhm_edit</tabstop>
<tabstop>vanpeaktol_edit</tabstop>